Compile Data Set for Download or QSAR

Found 20 hits of ki data for polymerid = 4421   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis)	BDBM8726 (5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...) Show SMILES Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0510	-14.0	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Inhibition constant binding to E-NAD+				ACS Chem Biol 4: 221-31 (2009) Article DOI: 10.1021/cb800306y BindingDB Entry DOI: 10.7270/Q2T72FTC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis)	BDBM36543 (5-propyl-2-phenoxyphenol | PT02) Show SMILES CCCc1ccc(Oc2ccccc2)c(O)c1 Show InChI InChI=1S/C15H16O2/c1-2-6-12-9-10-15(14(16)11-12)17-13-7-4-3-5-8-13/h3-5,7-11,16H,2,6H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	0.440	-12.8	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Inhibition constant binding to E-NAD+				ACS Chem Biol 4: 221-31 (2009) Article DOI: 10.1021/cb800306y BindingDB Entry DOI: 10.7270/Q2T72FTC
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis)	BDBM16296 (5-Pentyl-2-phenoxy-phenol | 5-pentyl-2-phenoxylphe...) Show SMILES CCCCCc1ccc(Oc2ccccc2)c(O)c1 Show InChI InChI=1S/C17H20O2/c1-2-3-5-8-14-11-12-17(16(18)13-14)19-15-9-6-4-7-10-15/h4,6-7,9-13,18H,2-3,5,8H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.30	-12.1	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Inhibition constant binding to E-NAD+				ACS Chem Biol 4: 221-31 (2009) Article DOI: 10.1021/cb800306y BindingDB Entry DOI: 10.7270/Q2T72FTC
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis)	BDBM36539 (5-chloro-2-phenoxylphenol | PT52 | US10071965, Com...) Show SMILES Oc1cc(Cl)ccc1Oc1ccccc1 Show InChI InChI=1S/C12H9ClO2/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8,14H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.90	-11.9	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Inhibition constant binding to E-NAD+				ACS Chem Biol 4: 221-31 (2009) Article DOI: 10.1021/cb800306y BindingDB Entry DOI: 10.7270/Q2T72FTC
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis)	BDBM36542 (5-methyl-2-phenoxylphenol | PT53 | US10071965, Com...) Show SMILES Cc1ccc(Oc2ccccc2)c(O)c1 Show InChI InChI=1S/C13H12O2/c1-10-7-8-13(12(14)9-10)15-11-5-3-2-4-6-11/h2-9,14H,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.90	-11.9	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Inhibition constant binding to E-NAD+				ACS Chem Biol 4: 221-31 (2009) Article DOI: 10.1021/cb800306y BindingDB Entry DOI: 10.7270/Q2T72FTC
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis)	BDBM16294 (2PP | 5-Ethyl-2-phenoxy-phenol | 5-butyl-2-phenoxy...) Show SMILES CCc1ccc(Oc2ccccc2)c(O)c1 Show InChI InChI=1S/C14H14O2/c1-2-11-8-9-14(13(15)10-11)16-12-6-4-3-5-7-12/h3-10,15H,2H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2.10	-11.8	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Inhibition constant binding to E-NAD+				ACS Chem Biol 4: 221-31 (2009) Article DOI: 10.1021/cb800306y BindingDB Entry DOI: 10.7270/Q2T72FTC
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis)	BDBM16297 (5-Hexyl-2-phenoxy-phenol | 5-hexyl-2-phenoxylpheno...) Show SMILES CCCCCCc1ccc(Oc2ccccc2)c(O)c1 Show InChI InChI=1S/C18H22O2/c1-2-3-4-6-9-15-12-13-18(17(19)14-15)20-16-10-7-5-8-11-16/h5,7-8,10-14,19H,2-4,6,9H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2.70	-11.7	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Inhibition constant binding to E-NAD+				ACS Chem Biol 4: 221-31 (2009) Article DOI: 10.1021/cb800306y BindingDB Entry DOI: 10.7270/Q2T72FTC
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis)	BDBM36540 (5-bromo-2-phenoxylphenol | PT103) Show SMILES Oc1cc(Br)ccc1Oc1ccccc1 Show InChI InChI=1S/C12H9BrO2/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8,14H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.10	-11.1	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Inhibition constant binding to E-NAD+				ACS Chem Biol 4: 221-31 (2009) Article DOI: 10.1021/cb800306y BindingDB Entry DOI: 10.7270/Q2T72FTC
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis)	BDBM16298 (5-Octyl-2-phenoxy-phenol | 5-heptyl-2-phenoxylphen...) Show SMILES CCCCCCCCc1ccc(Oc2ccccc2)c(O)c1 Show InChI InChI=1S/C20H26O2/c1-2-3-4-5-6-8-11-17-14-15-20(19(21)16-17)22-18-12-9-7-10-13-18/h7,9-10,12-16,21H,2-6,8,11H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	23.6	-10.4	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Inhibition constant binding to E-NAD+				ACS Chem Biol 4: 221-31 (2009) Article DOI: 10.1021/cb800306y BindingDB Entry DOI: 10.7270/Q2T72FTC
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis)	BDBM36540 (5-bromo-2-phenoxylphenol | PT103) Show SMILES Oc1cc(Br)ccc1Oc1ccccc1 Show InChI InChI=1S/C12H9BrO2/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8,14H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	149	-9.31	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Inhibition constant binding to E-NADH				ACS Chem Biol 4: 221-31 (2009) Article DOI: 10.1021/cb800306y BindingDB Entry DOI: 10.7270/Q2T72FTC
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis)	BDBM16298 (5-Octyl-2-phenoxy-phenol | 5-heptyl-2-phenoxylphen...) Show SMILES CCCCCCCCc1ccc(Oc2ccccc2)c(O)c1 Show InChI InChI=1S/C20H26O2/c1-2-3-4-5-6-8-11-17-14-15-20(19(21)16-17)22-18-12-9-7-10-13-18/h7,9-10,12-16,21H,2-6,8,11H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	192	-9.16	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Inhibition constant binding to E-NADH				ACS Chem Biol 4: 221-31 (2009) Article DOI: 10.1021/cb800306y BindingDB Entry DOI: 10.7270/Q2T72FTC
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis)	BDBM36542 (5-methyl-2-phenoxylphenol | PT53 | US10071965, Com...) Show SMILES Cc1ccc(Oc2ccccc2)c(O)c1 Show InChI InChI=1S/C13H12O2/c1-10-7-8-13(12(14)9-10)15-11-5-3-2-4-6-11/h2-9,14H,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	247	-9.01	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Inhibition constant binding to E-NADH				ACS Chem Biol 4: 221-31 (2009) Article DOI: 10.1021/cb800306y BindingDB Entry DOI: 10.7270/Q2T72FTC
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis)	BDBM36538 (5-fluoro-2-phenoxylphenol | PT55 | US10071965, Com...) Show SMILES Oc1cc(F)ccc1Oc1ccccc1 Show InChI InChI=1S/C12H9FO2/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8,14H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem	Article PubMed	289	-8.91	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Inhibition constant binding to E-NAD+				ACS Chem Biol 4: 221-31 (2009) Article DOI: 10.1021/cb800306y BindingDB Entry DOI: 10.7270/Q2T72FTC
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis)	BDBM36539 (5-chloro-2-phenoxylphenol | PT52 | US10071965, Com...) Show SMILES Oc1cc(Cl)ccc1Oc1ccccc1 Show InChI InChI=1S/C12H9ClO2/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8,14H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	308	-8.88	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Inhibition constant binding to E-NADH				ACS Chem Biol 4: 221-31 (2009) Article DOI: 10.1021/cb800306y BindingDB Entry DOI: 10.7270/Q2T72FTC
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis)	BDBM16294 (2PP | 5-Ethyl-2-phenoxy-phenol | 5-butyl-2-phenoxy...) Show SMILES CCc1ccc(Oc2ccccc2)c(O)c1 Show InChI InChI=1S/C14H14O2/c1-2-11-8-9-14(13(15)10-11)16-12-6-4-3-5-7-12/h3-10,15H,2H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	311	-8.87	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Inhibition constant binding to E-NADH				ACS Chem Biol 4: 221-31 (2009) Article DOI: 10.1021/cb800306y BindingDB Entry DOI: 10.7270/Q2T72FTC
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis)	BDBM16297 (5-Hexyl-2-phenoxy-phenol | 5-hexyl-2-phenoxylpheno...) Show SMILES CCCCCCc1ccc(Oc2ccccc2)c(O)c1 Show InChI InChI=1S/C18H22O2/c1-2-3-4-6-9-15-12-13-18(17(19)14-15)20-16-10-7-5-8-11-16/h5,7-8,10-14,19H,2-4,6,9H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	331	-8.83	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Inhibition constant binding to E-NADH				ACS Chem Biol 4: 221-31 (2009) Article DOI: 10.1021/cb800306y BindingDB Entry DOI: 10.7270/Q2T72FTC
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis)	BDBM36543 (5-propyl-2-phenoxyphenol | PT02) Show SMILES CCCc1ccc(Oc2ccccc2)c(O)c1 Show InChI InChI=1S/C15H16O2/c1-2-6-12-9-10-15(14(16)11-12)17-13-7-4-3-5-8-13/h3-5,7-11,16H,2,6H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	696	-8.39	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Inhibition constant binding to E-NADH				ACS Chem Biol 4: 221-31 (2009) Article DOI: 10.1021/cb800306y BindingDB Entry DOI: 10.7270/Q2T72FTC
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis)	BDBM36541 (5-nitro-2-phenoxylphenol | PT104) Show SMILES Oc1cc(ccc1Oc1ccccc1)N(=O)=O Show InChI InChI=1S/C12H9NO4/c14-11-8-9(13(15)16)6-7-12(11)17-10-4-2-1-3-5-10/h1-8,14H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents	Article PubMed	789	-8.32	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Inhibition constant binding to E-NAD+				ACS Chem Biol 4: 221-31 (2009) Article DOI: 10.1021/cb800306y BindingDB Entry DOI: 10.7270/Q2T72FTC
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis)	BDBM36537 (2-phenoxylphenol | PT51 | US10071965, Compound PT5...) Show SMILES Oc1ccccc1Oc1ccccc1 Show InChI InChI=1S/C12H10O2/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,13H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.26E+3	-7.70	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Inhibition constant binding to E-NAD+				ACS Chem Biol 4: 221-31 (2009) Article DOI: 10.1021/cb800306y BindingDB Entry DOI: 10.7270/Q2T72FTC
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis)	BDBM8726 (5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...) Show SMILES Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	5.00E+3	-7.23	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Inhibition constant binding to E-NADH				ACS Chem Biol 4: 221-31 (2009) Article DOI: 10.1021/cb800306y BindingDB Entry DOI: 10.7270/Q2T72FTC
					More data for this Ligand-Target Pair				3D Structure (crystal)